| CAS Number | 18906-40-6 |
| Catalog Number | AG01BKJR |
| Chemical Name | 2-Chloro-5-(trifluoromethyl)benzenethiol |
| IUPAC Name | 2-chloro-5-(trifluoromethyl)benzenethiol |
| InChI | InChI=1S/C7H4ClF3S/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3,12H |
| InChI Key | CLJUYSUDVRFKEL-UHFFFAOYSA-N |
| MDL Number | MFCD12026131 |
| Molecular Formula | C7H4ClF3S |
| Molecular Weight | 212.6199 |
| SMILES | FC(C1=CC(S)=C(Cl)C=C1)(F)F |
| Synonyms | 2-Chloro-5-trifluoromethylbenzenethiol,
18906-40-6,
2-chloro-5-(trifluoromethyl)benzenethiol,
SCHEMBL1068202,
MFCD12026131,
ZINC36532980,
AKOS027385788,
2-Chloro-5-(trifluoromethyl)thiophenol,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.614g/mol |
| Monoisotopic Mass | 211.967g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number